[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone

C25H27FN8O — CID 53484184

IUPAC[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Nc3nc(C4CC4)cn4c(-c5cn[nH]c5)cnc34)c(F)c2)CCN1
InChIInChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyVQUVLPVWCDXSOK-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.70
Rot. Bonds5

About [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone

[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 53484184) has the molecular formula C25H27FN8O and a molecular weight of 474.54 g/mol. Its IUPAC name is [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID53484184
Molecular FormulaC25H27FN8O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Nc3nc(C4CC4)cn4c(-c5cn[nH]c5)cnc34)c(F)c2)CCN1
InChIInChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyVQUVLPVWCDXSOK-UHFFFAOYSA-N
XLogP3.70
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone (CID 53484184) is [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)c2ccc(Nc3nc(C4CC4)cn4c(-c5cn[nH]c5)cnc34)c(F)c2)CCN1.
What is the InChIKey of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is VQUVLPVWCDXSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone?
[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 474.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 53484184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).